4286-0120 Screening compound: 1-ethyl-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium

4286-0120 Screening compound: 1-ethyl-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium
4286-0120 Screening compound: 1-ethyl-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4286-0120
1-ethyl-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4286-0120

Molecular Formula

C22H28NO (C22 H28 NO)

Compound Name

1-ethyl-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium

IUPAC name

1-ethyl-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium

SMILES

CC[N+]1(CCC2CC1)CC2C(c1ccccc1)(c1ccccc1)O

InChI

InChI=1S/C22H28NO/c1-2-23-15-13-18(14-16-23)21(17-23)22(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,24H,2,13-17H2,1H3/q+1/t18?,21-,23?/m0/s1

InChI Key

NYMHJCJSIZQLDE-STDCAVTESA-N

MDL Number (MFCD)

MFCD03447358

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

322.47

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-3.95

Polar Surface Area

15.149

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

4286-0120 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4286-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4286-0120?
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What is the minimum amount of 4286-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4286-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4286-0120
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4286-0120 available by request